4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

C21H29FN4O2 — CID 126777276

IUPAC4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)on1
InChIInChI=1S/C21H29FN4O2/c1-3-15(4-2)20-13-17(28-25-20)14-23-21(27)26-11-9-16(10-12-26)24-19-8-6-5-7-18(19)22/h5-8,13,15-16,24H,3-4,9-12,14H2,1-2H3,(H,23,27)
InChIKeyZJJMJQLSJKGNQU-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.50
Rot. Bonds7

About 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 126777276) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID126777276
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC Name4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)on1
InChIInChI=1S/C21H29FN4O2/c1-3-15(4-2)20-13-17(28-25-20)14-23-21(27)26-11-9-16(10-12-26)24-19-8-6-5-7-18(19)22/h5-8,13,15-16,24H,3-4,9-12,14H2,1-2H3,(H,23,27)
InChIKeyZJJMJQLSJKGNQU-UHFFFAOYSA-N
XLogP4.50
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 95967964
N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
CID 95934076
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
CID 71868620
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989910
4-(2-chlorobenzoyl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 86952489
1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989228
N-[3-[[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 111676298
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71924354
N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111510756
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 154758654

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (CID 126777276) is 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is CCC(CC)c1cc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)on1.
What is the InChIKey of 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is ZJJMJQLSJKGNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-3-15(4-2)20-13-17(28-25-20)14-23-21(27)26-11-9-16(10-12-26)24-19-8-6-5-7-18(19)22/h5-8,13,15-16,24H,3-4,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126777276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).